Dataset

Butamben

This MassBank record with Accession MSBNK-Waters-WA001769 contains the MS mass spectrum of Butamben with the InChIkey IUWVALYLNVXWKX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
SMILES CCCCOC(=O)c(c1)ccc(N)c1
InChI Key IUWVALYLNVXWKX-UHFFFAOYSA-N
Molecular Formula C11H15NO2
Exact Mass 193.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001769
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:11.467432
MetadataModified 2024-01-11T22:47:11.659901
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL81735 SureChEMBL
EZAVIK CCDC
HMDB0249473 Human Metabolome Database
MCULE-6283966699 Mcule
J4.698A Nikkaji
2482 PubChem
PD001588 ProbesDrugs
15322311 PubChem: Thomson Pharma
LSM-5413 LINCS
94-25-7 ACToR
EFW857872Q FDA SRS
ZINC000001530937 ZINC
3051 DrugCentral
DTXSID7022417 EPA CompTox Dashboard
233779 Brenda
HY-B1430 MedChemExpress
BUTAMBEN rxnorm
50240094 BindingDB
BUTAMBEN PICRATE rxnorm
BUTAMBEN DailyMed
37095 Brenda
3231 ChEBI
CB9123524 ChemicalBook
butamben DailyMed
DB11148 DrugBank
CHEMBL127516 ChEMBL
C07875 KEGG Ligand
476478 eMolecules
BUTYL AMINOBENZOATE PICRATE clinicaltrials
BUTAMBEN clinicaltrials
BUTAMBEN PICRATE clinicaltrials
BUTESIN clinicaltrials
BUTYL AMINOBENZOATE clinicaltrials
The data in this table is sourced from UniChem at EBI.